3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine

C14H17NOS — CID 84753072

IUPAC3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
SMILESCc1ccc(OCCC(N)c2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-11-4-6-12(7-5-11)16-9-8-13(15)14-3-2-10-17-14/h2-7,10,13H,8-9,15H2,1H3
InChIKeyQFPRFFILKYTMLD-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.53
Rot. Bonds5

About 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine

3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine (PubChem CID 84753072) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
PubChem CID84753072
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
SMILESCc1ccc(OCCC(N)c2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-11-4-6-12(7-5-11)16-9-8-13(15)14-3-2-10-17-14/h2-7,10,13H,8-9,15H2,1H3
InChIKeyQFPRFFILKYTMLD-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
CID 54971662
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286550
4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
CID 117240220
4-[4-(1-benzothiophen-3-yl)phenoxy]-1-thiophen-2-ylbutan-1-amine
CID 67011989
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine
CID 118530471
(3-phenoxy-1-thiophen-2-ylpropyl)hydrazine
CID 105191394
3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol
CID 154630453
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine (CID 84753072) is 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine is Cc1ccc(OCCC(N)c2cccs2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is QFPRFFILKYTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-4-6-12(7-5-11)16-9-8-13(15)14-3-2-10-17-14/h2-7,10,13H,8-9,15H2,1H3.
What are the key properties of 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine?
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 84753072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).